Acta Crystallographica, Section C: Crystal Structure Communications p. o685-o689 (2007)
Update date:2022-08-11
Topics:
Nesterov, Vladimir N.
Wiedenfeld, David J.
Nesterova, Svitlana V.
Hastings, Lucas F.
In the title compounds, 2-methoxy-ethyl 6-amino-5-cyano-2-methyl-4-(1- naphthyl)-4H-pyran-3-carboxyl-ate, C21H20N2O4, (II), isopropyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4H-pyran-3-carboxyl-ate, C21H20N2O3, (III), and ethyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4H-pyran-3-carboxyl- ate, C20H18N2O3, (IV), the heterocyclic pyran ring adopts a flattened boat conformation. In (II) and (III), the carbonyl group and a double bond of the heterocyclic ring are mutually anti, but in (IV) they are mutually syn. The ester O atoms in (II) and (III) and the carbonyl O atom in (IV) participate in intra-molecular C - H...O contacts to form six-membered rings. The dihedral angles between the naphthalene substituent and the closest four atoms of the heterocyclic ring are 73.3 (1), 71.0 (1) and 74.3 (1)° for (II)-(IV), respectively. In all three structures, only one H atom of the NH2 group takes part in N - H...O [in (II) and (III)] or N - H...N [in (IV)] inter-molecular hydrogen bonds, and chains [in (II) and (III)] or dimers [in (IV)] are formed. In (II), weak inter-molecular C - H...O and C - H...N hydrogen bonds, and in (III) inter-molecular C - H...O hydrogen bonds link the chains into ladders along the a axis. International Union of Crystallography 2007.
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